Geometry & MOs

Info

ID:	293675
PubChem CID:	117396486
Reduced:	NSO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	257.139134
ΔH_f, kcal/mol:	-135.45
Dipole, Da:	5.32
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,3-difluoro-5-(1-fluoroethyl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

CC(CN)C1=CC2=C(C=C1S(=O)(=O)C)OCO2

DOS

IR

Vibrations